Chemical Compound

(4aR,6R,8aR)-4,8a-dimethyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-one

(4aR,6R,8aR)-4,8a-dimethyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-one 结构式
Primary record

(4aR,6R,8aR)-4,8a-dimethyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-one

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
101831407
SMILES
CC1=C(C(=O)C[C@@]2([C@H]1C[C@@H](CC2)C(C)(C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Canonical SMILES
CC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)C[C@@]2(C)CC[C@@H](C(C)(C)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@@H]12

名称与同义词

  • Atractyloside I
  • J253.505J
  • (4aR,6R,8aR)-4,8a-dimethyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-one
  • [(5alpha)-4-Methyl-2-oxo-3,4-didehydro-5-demethyl-1,5-seco-5,10alpha-cycloambrosane-3,11-diyl]bis(beta-D-glucopyranoside)